Information card for entry 2203783

Structure parameters

• Common name: tetramethylammonium oxodisulfatevanadate
• Chemical name: Tetrakis(tetramethylammonium) di-am-sulfato-bis[oxosulfatovanadium(V)]
• Formula: C16 H48 N4 O18 S4 V2
• Calculated formula: C16 H48 N4 O18 S4 V2
• SMILES: C[N+](C)(C)C.C[N+](C)(C)C.O=[V]12(OS(=O)(=O)O[V]3(=O)(OS(=O)(=O)O2)OS(=O)(=O)O3)OS(=O)(=O)O1.C[N+](C)(C)C.C[N+](C)(C)C
• Title of publication: Tetrakis(tetramethylammonium) di-μ-sulfato-bis[oxosulfatovanadate(V)]
• Authors of publication: Ngala, Katana; Zavalij, Peter Y.; Whittingham, M. Stanley
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: m881 - m883
• a: 13.1346 ± 0.0012 Å
• b: 9.2316 ± 0.0009 Å
• c: 14.2385 ± 0.0014 Å
• α: 90°
• β: 95.171 ± 0.002°
• γ: 90°
• Cell volume: 1719.4 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No